Information card for entry 1563063

Structure parameters

• Formula: C14 H8 Mn2 Mo N12
• Calculated formula: C14 H8 Mn2 Mo N12
• Title of publication: Large breathing effect induced by water sorption in a remarkably stable nonporous cyanide-bridged coordination polymer
• Authors of publication: Magott, Michal; Gaweł, Bartłomiej A.; Sarewicz, Marcin; Reczyński, Mateusz; Ogorzały, Karolina; Makowski, Wacław; Pinkowicz, Dawid
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 9.8543 ± 0.0005 Å
• b: 10.0005 ± 0.0005 Å
• c: 10.8395 ± 0.0006 Å
• α: 95.383 ± 0.01°
• β: 103.956 ± 0.009°
• γ: 103.284 ± 0.006°
• Cell volume: 996.27 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0517
• Goodness-of-fit parameter for all reflections: 0.41
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No